3-(5-chloro-4-ethoxy-2-methylphenyl)-2,2-dimethylpropan-1-amine

C14H22ClNO — CID 95464648

IUPAC3-(5-chloro-4-ethoxy-2-methylphenyl)-2,2-dimethylpropan-1-amine
SMILESCCOc1cc(C)c(CC(C)(C)CN)cc1Cl
InChIInChI=1S/C14H22ClNO/c1-5-17-13-6-10(2)11(7-12(13)15)8-14(3,4)9-16/h6-7H,5,8-9,16H2,1-4H3
InChIKeyCTIDUYRPIZGFSW-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.57
Rot. Bonds5

About 3-(5-chloro-4-ethoxy-2-methylphenyl)-2,2-dimethylpropan-1-amine

3-(5-chloro-4-ethoxy-2-methylphenyl)-2,2-dimethylpropan-1-amine (PubChem CID 95464648) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 3-(5-chloro-4-ethoxy-2-methylphenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-4-ethoxy-2-methylphenyl)-2,2-dimethylpropan-1-amine
PubChem CID95464648
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name3-(5-chloro-4-ethoxy-2-methylphenyl)-2,2-dimethylpropan-1-amine
SMILESCCOc1cc(C)c(CC(C)(C)CN)cc1Cl
InChIInChI=1S/C14H22ClNO/c1-5-17-13-6-10(2)11(7-12(13)15)8-14(3,4)9-16/h6-7H,5,8-9,16H2,1-4H3
InChIKeyCTIDUYRPIZGFSW-UHFFFAOYSA-N
XLogP3.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-4-ethoxy-2-methylphenyl)-2-methylpropan-1-amine
CID 82293238
3-(5-chloro-4-ethoxy-2-methylphenyl)propan-1-amine
CID 95447725
N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]propan-1-amine
CID 95455460
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146
5-chloro-4-ethoxy-2-methylbenzenesulfonamide
CID 82297288
5-chloro-4-ethoxy-2-methylphenol
CID 82490779
2-(5-chloro-4-ethoxy-2-methylphenyl)-N-methylpropan-2-amine
CID 82293239
1-(5-chloro-4-ethoxy-2-methylphenyl)-N-methylbutan-2-amine
CID 112513504
N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]acetamide
CID 110781893
1-(5-chloro-4-ethoxy-2-methylphenyl)-2,2,2-trifluoroethanamine
CID 82304919
1-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]piperazine
CID 82305365
2-(5-chloro-4-ethoxy-2-methylphenyl)pyrimidin-5-amine
CID 82303511

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-4-ethoxy-2-methylphenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(5-chloro-4-ethoxy-2-methylphenyl)-2,2-dimethylpropan-1-amine (CID 95464648) is 3-(5-chloro-4-ethoxy-2-methylphenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(5-chloro-4-ethoxy-2-methylphenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(5-chloro-4-ethoxy-2-methylphenyl)-2,2-dimethylpropan-1-amine is CCOc1cc(C)c(CC(C)(C)CN)cc1Cl.
What is the InChIKey of 3-(5-chloro-4-ethoxy-2-methylphenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is CTIDUYRPIZGFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-5-17-13-6-10(2)11(7-12(13)15)8-14(3,4)9-16/h6-7H,5,8-9,16H2,1-4H3.
What are the key properties of 3-(5-chloro-4-ethoxy-2-methylphenyl)-2,2-dimethylpropan-1-amine?
3-(5-chloro-4-ethoxy-2-methylphenyl)-2,2-dimethylpropan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-4-ethoxy-2-methylphenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 95464648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).